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Ethyl 2-(1H-tetrazol-5-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
SpectraBase Compound ID H4h4pHLY5Ec
InChI InChI=1S/C9H8F3N7O2/c1-2-21-6(20)4-3-13-7(14-5(4)9(10,11)12)15-8-16-18-19-17-8/h3H,2H2,1H3,(H2,13,14,15,16,17,18,19)
InChIKey QAZILKWUYYEGEM-UHFFFAOYSA-N
Mol Weight 303.21 g/mol
Molecular Formula C9H8F3N7O2
Exact Mass 303.069157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiIg0zciWka
Name Ethyl 2-(1H-tetrazol-5-ylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8F3N7O2
InChI InChI=1S/C9H8F3N7O2/c1-2-21-6(20)4-3-13-7(14-5(4)9(10,11)12)15-8-16-18-19-17-8/h3H,2H2,1H3,(H2,13,14,15,16,17,18,19)
InChIKey QAZILKWUYYEGEM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.44
Molecular Weight 303.205 g/mol
SMILES N(c1nc(c(C(OCC)=O)cn1)C(F)(F)F)c1nnn[nH]1
SPLASH splash10-00di-3490000000-c5b3340d81c78ef534b5
Source of Spectrum BJO-11-SM6-5
Wiley ID 1851675